1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene

C13H16F2O — CID 10857143

IUPAC1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene
SMILESCCC(C)/C(F)=C(/F)c1ccc(OC)cc1
InChIInChI=1S/C13H16F2O/c1-4-9(2)12(14)13(15)10-5-7-11(16-3)8-6-10/h5-9H,4H2,1-3H3/b13-12-
InChIKeyNBRWGCLPZMMDFG-SEYXRHQNSA-N
MW226.27 g/mol
LogP4.35
Rot. Bonds4

About 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene

1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene (PubChem CID 10857143) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene
PubChem CID10857143
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene
SMILESCCC(C)/C(F)=C(/F)c1ccc(OC)cc1
InChIInChI=1S/C13H16F2O/c1-4-9(2)12(14)13(15)10-5-7-11(16-3)8-6-10/h5-9H,4H2,1-3H3/b13-12-
InChIKeyNBRWGCLPZMMDFG-SEYXRHQNSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene (CID 10857143) is 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene is CCC(C)/C(F)=C(/F)c1ccc(OC)cc1.
What is the InChIKey of 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene?
The InChIKey is NBRWGCLPZMMDFG-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H16F2O/c1-4-9(2)12(14)13(15)10-5-7-11(16-3)8-6-10/h5-9H,4H2,1-3H3/b13-12-.
What are the key properties of 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene?
1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene has a molecular weight of 226.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-difluoro-3-methylpent-1-enyl]-4-methoxybenzene is sourced from PubChem (CID 10857143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).